- InChI
- InChI=1S/C19H29ClO2/c1-2-3-4-5-6-7-8-9-10-11-16-22-19(21)17-12-14-18(20)15-13-17/h12-15H,2-11,16H2,1H3
- InChI Key
- AEOLFEGHEDCXAW-UHFFFAOYSA-N
- Formula
- C19H29ClO2
- SMILES
- CCCCCCCCCCCCOC(=O)c1ccc(Cl)cc1
- Molecular Weight1
- 324.88
- CAS
- 97222-07-6
- Other Names
-
- Dodecyl 4-chlorobenzoate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -33.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -470.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.37 | kJ/mol | Joback Calculated Property |
| log10WS | -7.00 | Crippen Calculated Property | |
| logPoct/wat | 6.418 | Crippen Calculated Property | |
| McVol | 274.490 | ml/mol | McGowan Calculated Property |
| Pc | 1354.63 | kPa | Joback Calculated Property |
| Inp | [2312.00; 2363.00] |
|
|
| Inp | 2312.00 | NIST | |
| Inp | 2322.00 | NIST | |
| Inp | 2333.00 | NIST | |
| Inp | 2363.00 | NIST | |
| Inp | 2339.00 | NIST | |
| Inp | 2351.00 | NIST | |
| Inp | 2363.00 | NIST | |
| I | [2856.00; 2914.00] |
|
|
| I | 2856.00 | NIST | |
| I | 2874.00 | NIST | |
| I | 2898.00 | NIST | |
| I | 2914.00 | NIST | |
| I | 2880.00 | NIST | |
| I | 2902.00 | NIST | |
| I | 2856.00 | NIST | |
| Tboil | 779.50 | K | Joback Calculated Property |
| Tc | 975.71 | K | Joback Calculated Property |
| Tfus | 444.91 | K | Joback Calculated Property |
| Vc | 1.065 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [798.77; 885.33] | J/mol×K | [779.50; 975.71] |
|
| Cp,gas | 798.77 | J/mol×K | 779.50 | Joback Calculated Property |
| Cp,gas | 815.62 | J/mol×K | 812.20 | Joback Calculated Property |
| Cp,gas | 831.45 | J/mol×K | 844.90 | Joback Calculated Property |
| Cp,gas | 846.30 | J/mol×K | 877.61 | Joback Calculated Property |
| Cp,gas | 860.21 | J/mol×K | 910.31 | Joback Calculated Property |
| Cp,gas | 873.21 | J/mol×K | 943.01 | Joback Calculated Property |
| Cp,gas | 885.33 | J/mol×K | 975.71 | Joback Calculated Property |
| η | [0.0000750; 0.0009407] | Pa×s | [444.91; 779.50] |
|
| η | 0.0009407 | Pa×s | 444.91 | Joback Calculated Property |
| η | 0.0004880 | Pa×s | 500.68 | Joback Calculated Property |
| η | 0.0002888 | Pa×s | 556.44 | Joback Calculated Property |
| η | 0.0001880 | Pa×s | 612.20 | Joback Calculated Property |
| η | 0.0001315 | Pa×s | 667.97 | Joback Calculated Property |
| η | 0.0000972 | Pa×s | 723.73 | Joback Calculated Property |
| η | 0.0000750 | Pa×s | 779.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chlorobenzoic acid, dodecyl ester.
Sources
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